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1-[(Cyclo-propyl-meth-oxy)meth-yl]-5-ethyl-6-(4-methyl-benzyl)-1,2,3,4-tetra-hydro-pyrimidine-2,4-dione.

ABSTRACT: The pyrimidine ring in the title compound, C(19)H(24)N(2)O(3), is nearly planar (r.m.s. deviation = 0.008?Å); the C atom at the 5-position deviates by 0.054?(3)?Å from the mean plane and the C atom at the 6-position by 0.006?(3)?Å in the opposite direction. The benzene ring is approximately perpendicular to the pyrimidine ring [dihedral angle = 83.90?(10)°]. The amino group is hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol-ecule, the hydrogen bond generating an inversion dimer. The cyclo-propyl ring is disordered over two sets of sites with the major component having 71.5?(4)% occupancy.

SUBMITTER: El-Brollosy NR

PROVIDER: S-EPMC3275032 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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1-[(Cyclo-propyl-meth-oxy)meth-yl]-5-ethyl-6-(4-methyl-benzyl)-1,2,3,4-tetra-hydro-pyrimidine-2,4-dione.

El-Brollosy Nasser R NR El-Emam Ali A AA Al-Deeb Omar A OA Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

The pyrimidine ring in the title compound, C(19)H(24)N(2)O(3), is nearly planar (r.m.s. deviation = 0.008 Å); the C atom at the 5-position deviates by 0.054 (3) Å from the mean plane and the C atom at the 6-position by 0.006 (3) Å in the opposite direction. The benzene ring is approximately perpendicular to the pyrimidine ring [dihedral angle = 83.90 (10)°]. The amino group is hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol-ecule, the hydrogen bond generating an ...[more]

PMID: 22346977

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